SCHEMBL8288703

SCHEMBL8288703

Nc1c(NC(=O)CSCC(=O)O)sc2c1CCCC2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.47
HPGD P15428 3/20 0.47
FLT3 P36888 3/20 0.46
ALDH1A1 P00352 8/20 0.45
MAPT P10636 5/20 0.45
KDM4E B2RXH2 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
POLB P06746 3/20 0.44
TSHR P16473 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 2/20 0.44
CASP6 P55212 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 2/20 0.43
MAPK1 P28482 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8288580 0.86 FLT3 (0.45) LMNAHPGDFLT3ALDH1A1MAPT
SCHEMBL8288555 0.81 ALDH1A1 (0.70) LMNAALDH1A1MAPTKDM4EMEN1
SCHEMBL8289733 0.74 ALDH1A1 (0.71) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL8288576 0.74 ALDH1A1 (0.71) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL13187811 0.73 ALDH1A1 (0.47) LMNAHPGDALDH1A1MAPTMEN1
SCHEMBL8288594 0.70 TP53 (0.59) LMNAHPGDALDH1A1MAPTKDM4E
SCHEMBL8288598 0.68 ALDH1A1 (0.54) LMNAHPGDALDH1A1MAPTKDM4E
SCHEMBL8289585 0.68 L3MBTL1 (0.61) LMNAFLT3ALDH1A1MAPTMEN1
SCHEMBL8288708 0.68 TP53 (0.67) LMNAHPGDFLT3ALDH1A1MAPT
SCHEMBL8288570 0.67 MAPT (0.59) LMNAHPGDALDH1A1MAPTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005033102-A2 THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-04-14 WO disclosed